SCHEMBL12554698

SCHEMBL12554698

COC(=O)c1cc(C)cc(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12554683 0.94 L3MBTL1 (0.50) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL15150517 0.90 L3MBTL1 (0.49) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12554701 0.88 KMT2A (0.46) L3MBTL1KDM4EKMT2ARAB9AALDH1A1
SCHEMBL12586953 0.86 L3MBTL1 (0.51) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12554714 0.83 L3MBTL1 (0.42) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12554580 0.83 L3MBTL1 (0.52) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12554715 0.81 L3MBTL1 (0.42) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12586972 0.80 L3MBTL1 (0.52) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL11274332 0.78 L3MBTL1 (0.58) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL31123647 0.78 L3MBTL1 (0.58) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA L3MBTL1 3648/4885KDM4E 2910/4885CYP1A2 983/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 L3MBTL1 4679/4885KDM4E 3027/4885CYP1A2 2083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.